Table 2 The physicochemical properties of the metabolites from key metabolites.
Metabolites | MW ≤ 500 | HBA ≤ 10 | HBD ≤ 5 | MlogP ≤ 5 | Lipinski’s violations ≤ 1 | Bioavailability score > 0.1 | TPSA |
|---|---|---|---|---|---|---|---|
3-Indolepropionic acid | 189.21 | 2 | 2 | 1.4 | 0 | 0.85 | 53.09 |
Acetate | 59.04 | 2 | 0 | − 0.49 | 0 | 0.85 | 40.13 |
Butyrate | 87.1 | 2 | 0 | 0.49 | 0 | 0.85 | 40.13 |
Propionate | 73.07 | 2 | 0 | 0.03 | 0 | 0.85 | 40.13 |
Trimethylamine oxide | 75.11 | 1 | 0 | − 1.66 | 0 | 0.55 | 29.43 |
Indole | 117.15 | 0 | 1 | 1.57 | 0 | 0.55 | 15.79 |
Glycocholic acid | 465.62 | 6 | 5 | 2.15 | 0 | 0.26 | 127.09 |
